Application Note: An In Silico Test Battery For Rapid Evaluation of Genotoxic and Carcinogenic Potential of Chemicals

9 April 2012

Read this poster, which is an extension of a previous study by ACD/Labs, focusing on computational assessment of genotoxic impurities in drug products. The new approach relies on a battery of probabilistic QSAR models supplemented by a knowledge-based expert system that identifies structural fragments, potentially responsible for hazardous activity.